SCHEMBL12823973

SCHEMBL12823973

C/C=C/c1ccc(-c2ccc(C3CCC(C(=O)Oc4ccc(C5CO5)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12719676 0.88 HTT (0.43) HPGDKDM4EHTTKMT2AL3MBTL1
SCHEMBL12718070 0.87 HPGD (0.33) HPGD
SCHEMBL12823922 0.87 HPGD (0.33) HPGD
SCHEMBL12823431 0.86 FFAR4 (0.36) HPGDKDM4EHTTKMT2A
SCHEMBL12823349 0.86 NR1H4 (0.34) HPGDKDM4EHTTKMT2AL3MBTL1
SCHEMBL12719648 0.85 APP (0.35) HPGDKDM4EHTTKMT2AL3MBTL1
SCHEMBL12823418 0.85 HPGD (0.32) HPGD
SCHEMBL12742350 0.85 HPGD (0.39) HPGDKMT2A
SCHEMBL12717200 0.85 HPGD (0.34) HPGD
SCHEMBL13586468 0.84 MAPT (0.35) HPGDKDM4EHTTKMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 HPGD 4781/4885KDM4E 2690/4885HTT 2987/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.